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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:57893 - tabersoninium(1+)
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ChEBI Name
tabersoninium(1+)
ChEBI ID
CHEBI:57893
Definition
Conjugate acid of tabersonine arising from protonation of the tertiary amino group; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H25N2O2
Net Charge
+1
Average Mass
337.43540
Monoisotopic Mass
337.19105
InChI
InChI=1S/C21H24N2O2/c1-
3-
20-
9-
6-
11-
23-
12-
10-
21(19(20)
23)
15-
7-
4-
5-
8-
16(15)
22-
17(21)
14(13-
20)
18(24)
25-
2/h4-
9,19,22H,3,10-
13H2,1-
2H3/p+1/t19-
,20-
,21-
/m0/s1
InChIKey
FNGGIPWAZSFKCN-ACRUOGEOSA-O
SMILES
[H][C@@]12[NH+]3CC[C@]11C(Nc4ccccc14)=C(C[C@]2(CC)C=CC3)C(=O)OC
ChEBI Ontology
Outgoing
tabersoninium(1+) (
CHEBI:57893
)
is a
indole alkaloid cation (
CHEBI:60521
)
tabersoninium(1+) (
CHEBI:57893
)
is conjugate acid of
tabersonine (
CHEBI:16776
)
Incoming
tabersonine (
CHEBI:16776
)
is conjugate base of
tabersoninium(1+) (
CHEBI:57893
)
IUPAC Name
methyl 2,3,6,7-tetradehydro-5α,12β,19α-aspidospermidin-9-ium-3-carboxylate
Synonyms
Sources
(−)-tabersonine
UniProt
tabersonine cation
ChEBI
tabersonine(1+)
ChEBI
tabersoninium
ChEBI
tabersoninium cation
ChEBI
Last Modified
29 July 2019